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1ML
FEATURES
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NAMES
  • 1ML
SMILES
COc1ccc(C(=O)Nc2ccc(Oc3ccc(N(C(=O)[C@H]4CC[C@H](C)CC4)C(C)C)c(C(=O)O)c3)cc2)cc1
InChI
InChI=1S/C32H36N2O6/c1-20(2)34(31(36)23-7-5-21(3)6-8-23)29-18-17-27(19-28(29)32(37)38)40-26-15-11-24(12-16-26)33-30(35)22-9-13-25(39-4)14-10-22/h9-21,23H,5-8H2,1-4H3,(H,33,35)(H,37,38)/t21-,23-
MOLECULAR FORMULA
C32H36N2O6
CROSS REFERENCES
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1ML

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 544.26
AlogP 7.01
HBond donors 2
HBond acceptors 8
Atoms 76
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 1ML.